1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine

C17H21F2N3O — CID 11324694

IUPAC1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine
SMILESFC(F)Oc1nn(CCN2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H21F2N3O/c18-17(19)23-16-15(14-7-3-1-4-8-14)13-22(20-16)12-11-21-9-5-2-6-10-21/h1,3-4,7-8,13,17H,2,5-6,9-12H2
InChIKeyIYEOMDUIXIJQKI-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.64
Rot. Bonds6

About 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine

1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine (PubChem CID 11324694) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine
PubChem CID11324694
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC Name1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine
SMILESFC(F)Oc1nn(CCN2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H21F2N3O/c18-17(19)23-16-15(14-7-3-1-4-8-14)13-22(20-16)12-11-21-9-5-2-6-10-21/h1,3-4,7-8,13,17H,2,5-6,9-12H2
InChIKeyIYEOMDUIXIJQKI-UHFFFAOYSA-N
XLogP3.64
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine (CID 11324694) is 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine is FC(F)Oc1nn(CCN2CCCCC2)cc1-c1ccccc1.
What is the InChIKey of 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine?
The InChIKey is IYEOMDUIXIJQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O/c18-17(19)23-16-15(14-7-3-1-4-8-14)13-22(20-16)12-11-21-9-5-2-6-10-21/h1,3-4,7-8,13,17H,2,5-6,9-12H2.
What are the key properties of 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine?
1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine has a molecular weight of 321.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 11324694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).